68858-20-8

Fmoc-L-缬氨酸(68858-20-8)红外图谱(IR2)

分子式:C20H21NO4

分子量: 339.39

InChI:InChI=1S/C20H21NO4/c1-12(2)18(19(22)23)21-20(24)25-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17-18H,11H2,1-2H3,(H,21,24)(H,22,23)/t18-/m0/s1

InChIKey: UGNIYGNGCNXHTR-SFHVURJKSA-N

Smiles:C(O)(=O)[C@H](C(C)C)NC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O

Mass

MS-IW-2652          
N-((9-fluorenyl)methoxycarbonyl)-L-valine
C20H21NO4           (Mass of molecular ion:    339)

   Source Temperature: 170 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      17.0       1.4
      18.0       6.2
      27.0       4.8
      28.0       7.2
      29.0       2.3
      39.0       4.0
      41.0      10.2
      42.0       1.6
      43.0      14.4
      44.0       2.2
      51.0       1.2
      55.0       2.5
      56.0       4.3
      57.0       1.5
      62.0       1.0
      63.0       2.8
      69.5       1.5
      72.0       2.5
      73.0       6.0
      74.0       2.3
      75.0       2.0
      76.0       2.9
      81.5       1.3
      82.0       1.5
      82.5       2.1
      83.0       5.2
      87.0       1.7
      88.0       2.5
      89.0       3.1
      98.0       1.4
     101.0      44.6
     102.0       1.9
     113.0       1.0
     115.0       3.3
     139.0       5.1
     150.0       1.3
     151.0       2.4
     152.0       3.3
     162.0       1.3
     163.0      11.1
     164.0      10.3
     165.0     100.0
     166.0      78.9
     167.0      11.0
     176.0       5.1
     177.0       3.9
     178.0      55.5
     179.0      11.1
     180.0       1.4
     196.0      32.6
     197.0       5.1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₂₀ H₂₁ N O₄	0.050 g : 0.5 ml DMSO-d₆
N-((9-fluorenyl)methoxycarbonyl)-L-valine

    Assign.     Shift(ppm)

      A             7.899
      B             7.78
      C             7.64
      D             7.428
      E     *1      7.35
      F     *1      7.34
      G             4.29
      J             4.25
      K             3.928
      L             2.107
      M             0.937
     
     ASSIGNED BY H-H COSY.
     J(C,K)=8.4HZ
     J(K,L)=6.0HZ

     Hz     ppm     Int.

   3160.89   7.910    364
   3157.35   7.901     70
   3153.44   7.891    402
   3112.67   7.789    185
   3111.21   7.785    190
   3103.76   7.767    211
   3055.54   7.646    155
   3047.00   7.625    155
   2976.93   7.449    167
   2974.24   7.443     46
   2969.48   7.431    377
   2962.04   7.412    237
   2943.97   7.367    138
   2942.87   7.364    163
   2941.41   7.360    138
   2940.31   7.358    141
   2938.23   7.353     89
   2936.52   7.348    225
   2935.42   7.345    251
   2933.96   7.342    212
   2932.98   7.339    206
   2929.08   7.330    115
   2927.98   7.327    117
   2926.51   7.323     97
   2925.54   7.321     91
   1721.68   4.308    108
   1716.43   4.295    157
   1713.87   4.289    214
   1710.57   4.281    273
   1703.00   4.262    196
   1696.53   4.246    107
   1690.06   4.229     47
   1689.45   4.228     48
   1577.27   3.947    104
   1571.29   3.932    121
   1568.60   3.925    122
   1562.62   3.910    112
    852.78   2.134     47
    846.07   2.118     78
    839.48   2.101     82
    836.55   2.094     31
    832.76   2.084     53
    378.05   0.946   1000
    371.22   0.929    982
    361.69   0.906     60
    357.79   0.896     47
    357.42   0.895     45
    354.61   0.888     36
    353.03   0.884     32
    351.93   0.881     30

in DMSO-d6